Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24305416 | 0.90 | TSHR (0.35) | ADORA3ADORA2BTSHRATMSMN1; SMN2 | |
| SCHEMBL29499415 | 0.90 | SMN1; SMN2 (0.36) | ADORA3ADORA2BTSHRATMSMN1; SMN2 | |
| SCHEMBL26980000 | 0.88 | TSHR (0.41) | ADORA3TSHRATMSMN1; SMN2POLB | |
| SCHEMBL26980213 | 0.87 | RAB9A (0.45) | ADORA3ADORA2BTSHRATMSMN1; SMN2 | |
| SCHEMBL24304750 | 0.87 | PKM (0.44) | TSHRSMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL24305167 | 0.87 | MCHR1 (0.41) | POLBMMP2MMP13 | |
| SCHEMBL24304729 | 0.81 | TNKS (0.38) | ADORA3ADORA2BKMT2AHDAC1HDAC3 | |
| SCHEMBL24305162 | 0.80 | TNKS2 (0.38) | ADORA3ADORA2BTSHRATMSMN1; SMN2 | |
| SCHEMBL24304730 | 0.80 | ADORA2B (0.41) | ADORA3ADORA2BTSHRSMN1; SMN2MEN1 | |
| SCHEMBL29499444 | 0.80 | ADORA3 (0.38) | ADORA3ADORA2BTSHRATMSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4229059-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |